N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide

C8H10N4O3 — CID 88769683

IUPACN-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)NC(=O)N1CC1C#N
InChIInChI=1S/C8H10N4O3/c1-11(2)7(14)6(13)10-8(15)12-4-5(12)3-9/h5H,4H2,1-2H3,(H,10,13,15)
InChIKeySZOSUHVUOKEMSQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.48
Rot. Bonds

About N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide

N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide (PubChem CID 88769683) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide
PubChem CID88769683
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)NC(=O)N1CC1C#N
InChIInChI=1S/C8H10N4O3/c1-11(2)7(14)6(13)10-8(15)12-4-5(12)3-9/h5H,4H2,1-2H3,(H,10,13,15)
InChIKeySZOSUHVUOKEMSQ-UHFFFAOYSA-N
XLogP-1.48
TPSA93.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide?
The IUPAC name of N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide (CID 88769683) is N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide.
What is the SMILES notation for N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide?
The canonical SMILES for N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide is CN(C)C(=O)C(=O)NC(=O)N1CC1C#N.
What is the InChIKey of N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide?
The InChIKey is SZOSUHVUOKEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-11(2)7(14)6(13)10-8(15)12-4-5(12)3-9/h5H,4H2,1-2H3,(H,10,13,15).
What are the key properties of N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide?
N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide has a molecular weight of 210.19 g/mol, XLogP of -1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoaziridine-1-carbonyl)-N',N'-dimethyloxamide is sourced from PubChem (CID 88769683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).